![3-[2-(4-Aminophenyl)ethenyl]benzonitrile structure](/static/products/1086/108618-28-6.webp)
3-[2-(4-Aminophenyl)ethenyl]benzonitrile
TL;DR: 3-[2-(4-Aminophenyl)ethenyl]benzonitrile (CAS 108618-28-6) is a chemical compound with molecular formula C15H12N2 and molecular weight 220.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-aminophenyl)ethenyl]benzonitrile
Also Known As: 3-[2-(4-Aminophenyl)ethenyl]benzonitrile, 3-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
Technical Specifications
| Molecular Formula | C15H12N2 |
| Molecular Weight | 220.10005 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10005 Da |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
| SMILES | C1=CC(=CC(=C1)C#N)C=CC2=CC=C(C=C2)N |
| InChIKey | IBRRYYSHUYRVEK-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile
Property Insights of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile
The XLogP value of 3.2 indicates that 3-[2-(4-Aminophenyl)ethenyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-[2-(4-Aminophenyl)ethenyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-Aminophenyl)ethenyl]benzonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile?
The CAS number of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile is 108618-28-6.
What is the molecular formula of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile?
The molecular formula of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile is C15H12N2.
What is the molecular weight of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile?
The molecular weight of 3-[2-(4-Aminophenyl)ethenyl]benzonitrile is 220.10005 g/mol.
Where can I buy 3-[2-(4-Aminophenyl)ethenyl]benzonitrile?
You can request a quote for 3-[2-(4-Aminophenyl)ethenyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(4-Aminophenyl)ethenyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-[2-(4-Aminophenyl)ethenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.